102418-06-4 (新螺旋霉素,Neospiramycin)

快速询单

结构式：

新螺旋霉素MOL文件

CAS号：

102418-06-4

中文名称：

新螺旋霉素

英文名称：

Neospiramycin

分子式：

C₃₆H₆₂N₂O₁₁

分子量：

698.884292125702

新螺旋霉素(102418-06-4)名称与标识符

名称

中文别名：

新螺旋霉素;

英文别名：

Neospiramycin;2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2;[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-{[(2S,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-10-{[(2R,5S,6R)-5-(dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-7-yl]acetaldehyde (non-preferred name);Leucomycin V, 4A-O-de(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-9-O-(5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-, (9(2R,5S,6R))-;Neospiramycin I;102418-06-4;2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde;70253-62-2;DTXSID001016175;

标识符

InChIKey：

SUBWVHAACKTENX-XLGVTROISA-N

Inchi：

1S/C36H62N2O11/c1-21-19-25(17-18-39)34(49-36-33(43)31(38(7)8)32(42)24(4)47-36)35(44-9)27(40)20-29(41)45-22(2)13-11-10-12-14-28(21)48-30-16-15-26(37(5)6)23(3)46-30/h10-12,14,18,21-28,30-36,40,42-43H,13,15-17,19-20H2,1-9H3/b11-10+,14-12+/t21-,22-,23-,24-,25+,26+,27-,28+,30+,31+,32-,33-,34+,35+,36+/m1/s1

SMILES：

O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](C)O1)O)N(C)C)O)[C@@H]1[C@H]([C@@H](CC(=O)O[C@H](C)CC=CC=C[C@@H]([C@H](C)C[C@@H]1CC=O)O[C@H]1CC[C@@H]([C@@H](C)O1)N(C)C)O)OC |t:24,26|